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Purine nucleoside phosphorylase from calf spleen

Analyse Purine nucleoside phosphorylase from calf spleen in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2AI1
Type
protein
Length
274 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Purine nucleoside phosphorylase
EC
2.4.2.1
UniProt
P55859
Ligands
P1G, MG, ZN
Pockets
2 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APurine nucleoside phosphorylase (EC 2.4.2.1)protein27436% helix, 24% strandP55859

Ligands and binding sites

  • P1G · ((2r,4r,6r,6as)-4-(2-amino-6-oxo-1,6-dihydropurin-9-yl)-6-(hydroxymethyl)-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl)methylphosphonic acid · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • ZN · Zinc ion · metal · chains A
  • 144 · Tris-hydroxymethyl-methyl-ammonium · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12360.610.8141P1G
2510.230.7112empty

Compared structures

  • 2AI1 · Purine nucleoside phosphorylase from calf spleen · the same entry in another collection · chain A against A, TM-score 1.00
  • P55859 · AlphaFold monomer V2.0 prediction for purine nucleoside phosphorylase (P55859) · a predicted model of the same protein · chain A against A, TM-score 0.99

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